A1DFK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.52Å
C2	C3	sing	1.51Å	1.50Å
C3	C4	sing	1.41Å	1.40Å	Aromatic
C4	C5	sing	1.48Å	1.47Å
C5	C6	doub	1.39Å	1.39Å	Aromatic
C6	C7	sing	1.38Å	1.38Å	Aromatic
C7	C8	doub	1.38Å	1.39Å	Aromatic
C8	C9	sing	1.38Å	1.39Å	Aromatic
C9	C10	sing	1.51Å	1.51Å
C10	N1	sing	1.46Å	1.46Å
N1	C11	sing	1.35Å	1.33Å
C11	O1	doub	1.22Å	1.23Å
C11	C12	sing	1.48Å	1.50Å
C12	C13	doub	1.40Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C14	C15	doub	1.38Å	1.38Å	Aromatic
C15	C16	sing	1.38Å	1.38Å	Aromatic
C16	C17	doub	1.38Å	1.38Å	Aromatic
C9	C18	doub	1.38Å	1.39Å	Aromatic
C4	N2	doub	1.32Å	1.35Å	Aromatic
N2	N3	sing	1.40Å	1.35Å	Aromatic
N3	C19	sing	1.35Å	1.37Å
C19	O2	doub	1.22Å	1.22Å
C19	C20	sing	1.41Å	1.37Å
C20	C21	doub	1.37Å	1.38Å
C21	C22	sing	1.48Å	1.48Å
C22	C23	doub	1.40Å	1.39Å	Aromatic
C23	C24	sing	1.38Å	1.38Å	Aromatic
C24	C25	doub	1.38Å	1.38Å	Aromatic
C25	C26	sing	1.40Å	1.39Å	Aromatic
C26	C27	sing	1.48Å	1.49Å
C27	O3	doub	1.21Å	1.25Å
C27	O4	sing	1.35Å	1.24Å
C26	C28	doub	1.39Å	1.39Å	Aromatic
C21	N4	sing	1.37Å	1.36Å
N4	C29	sing	1.38Å	1.36Å
C12	C17	sing	1.40Å	1.39Å	Aromatic
C5	C18	sing	1.39Å	1.39Å	Aromatic
C22	C28	sing	1.39Å	1.39Å	Aromatic
C3	C29	doub	1.36Å	1.41Å	Aromatic
N3	C29	sing	1.36Å	1.36Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C13	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
C17	H16	sing	1.08Å	1.08Å
C18	H17	sing	1.08Å	1.08Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C20	H18	sing	1.08Å	1.08Å
C23	H19	sing	1.08Å	1.08Å
C24	H20	sing	1.08Å	1.08Å
C25	H21	sing	1.08Å	1.08Å
C28	H22	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
N1	H11	sing	0.97Å	1.00Å
N4	H23	sing	0.97Å	1.00Å
O4	H24	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	113.4°	109.5°
C2	C1	H1	109.5°	109.4°
C2	C1	H2	109.5°	109.4°
C2	C1	H3	109.5°	109.5°
C1	C2	H4	108.5°	109.5°
C1	C2	H5	108.5°	109.5°
C2	C3	C4	128.5°	126.1°
C2	C3	C29	126.7°	126.1°
C3	C2	H4	108.5°	109.5°
C3	C2	H5	108.5°	109.5°
C3	C4	C5	133.5°	125.8°
C3	C4	N2	111.3°	108.3°
C4	C3	C29	104.8°	107.8°
C4	C5	C6	122.6°	120.1°
C5	C4	N2	115.2°	125.8°
C4	C5	C18	118.7°	120.1°
C5	C6	C7	120.2°	119.9°
C6	C5	C18	118.8°	119.8°
C5	C6	H6	119.9°	120.1°
C6	C7	C8	120.4°	120.1°
C7	C6	H6	119.9°	120.1°
C6	C7	H7	119.8°	119.9°
C7	C8	C9	120.3°	120.2°
C8	C7	H7	119.8°	119.9°
C7	C8	H8	119.8°	119.9°
C8	C9	C10	121.7°	119.9°
C8	C9	C18	118.5°	120.1°
C9	C8	H8	119.8°	119.9°
C9	C10	N1	111.0°	109.5°
C10	C9	C18	119.7°	120.0°
C9	C10	H10	109.1°	109.5°
C9	C10	H9	109.1°	109.5°
C10	N1	C11	123.3°	120.0°
N1	C10	H10	109.1°	109.5°
N1	C10	H9	109.1°	109.5°
C10	N1	H11	118.4°	120.0°
N1	C11	O1	121.9°	120.0°
N1	C11	C12	116.6°	120.0°
C11	N1	H11	118.4°	120.0°
O1	C11	C12	121.5°	120.0°
C11	C12	C13	121.0°	120.2°
C11	C12	C17	119.3°	120.1°
C12	C13	C14	120.2°	119.9°
C13	C12	C17	119.7°	119.7°
C12	C13	H12	119.9°	120.1°
C13	C14	C15	119.9°	120.1°
C14	C13	H12	119.9°	120.1°
C13	C14	H13	120.1°	119.9°
C14	C15	C16	120.2°	120.3°
C15	C14	H13	120.0°	120.0°
C14	C15	H14	119.9°	119.9°
C15	C16	C17	120.4°	120.2°
C16	C15	H14	119.9°	119.9°
C15	C16	H15	119.8°	119.9°
C16	C17	C12	119.6°	119.8°
C17	C16	H15	119.8°	119.9°
C16	C17	H16	120.2°	120.1°
C9	C18	C5	121.8°	119.9°
C9	C18	H17	119.1°	120.1°
C4	N2	N3	105.3°	108.3°
N2	N3	C19	125.1°	131.8°
N2	N3	C29	112.7°	107.9°
N3	C19	O2	120.7°	120.0°
N3	C19	C20	118.0°	120.0°
C19	N3	C29	122.2°	120.3°
O2	C19	C20	121.4°	120.0°
C19	C20	C21	119.7°	119.7°
C19	C20	H18	120.2°	120.1°
C20	C21	C22	119.1°	120.2°
C20	C21	N4	121.0°	119.7°
C21	C20	H18	120.2°	120.2°
C21	C22	C23	120.3°	120.1°
C22	C21	N4	119.9°	120.1°
C21	C22	C28	120.1°	120.1°
C22	C23	C24	120.1°	120.1°
C23	C22	C28	119.6°	119.9°
C22	C23	H19	120.0°	119.9°
C23	C24	C25	120.4°	120.4°
C24	C23	H19	120.0°	119.9°
C23	C24	H20	119.8°	119.8°
C24	C25	C26	120.2°	120.1°
C25	C24	H20	119.8°	119.9°
C24	C25	H21	119.9°	120.0°
C25	C26	C27	120.8°	120.1°
C25	C26	C28	119.5°	119.9°
C26	C25	H21	119.9°	119.9°
C26	C27	O3	118.1°	120.0°
C26	C27	O4	117.6°	120.0°
C27	C26	C28	119.8°	120.1°
O3	C27	O4	124.3°	120.0°
C27	O4	H24	109.5°	117.0°
C26	C28	C22	120.3°	119.7°
C26	C28	H22	119.9°	120.2°
C21	N4	C29	119.7°	119.9°
C21	N4	H23	120.2°	120.0°
N4	C29	C3	134.5°	132.0°
N4	C29	N3	119.5°	120.4°
C29	N4	H23	120.2°	120.1°
C12	C17	H16	120.2°	120.1°
C5	C18	H17	119.1°	120.0°
C22	C28	H22	119.8°	120.1°
C3	C29	N3	105.9°	107.6°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.4°	109.5°
H10	C10	H9	109.5°	109.5°
H4	C2	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H4	120.6°	120.0°
C1	C2	C3	H5	120.6°	120.0°
C1	C2	C3	C4	141.9°	84.8°
C1	C2	C3	C29	39.4°	95.2°
C2	C1	H1	H2	120.0°	119.9°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	H4	H5	118.2°	120.0°
C2	C3	C4	C29	178.9°	180.0°
C2	C3	C4	C5	1.1°	0.1°
C2	C3	C4	N2	179.7°	180.0°
C2	C3	C29	N4	1.1°	0.0°
C2	C3	C29	N3	179.3°	180.0°
C3	C2	C1	H1	180.0°	59.1°
C3	C2	C1	H2	60.0°	60.9°
C3	C2	C1	H3	60.0°	179.1°
C3	C2	H4	H5	118.2°	120.0°
C3	C4	C5	N2	179.2°	179.9°
C3	C4	C5	C6	28.2°	43.4°
C3	C4	N2	N3	0.9°	0.0°
C4	C3	C29	N4	180.0°	179.9°
C3	C4	C5	C18	150.6°	136.7°
C4	C3	C29	N3	0.4°	0.0°
C4	C3	C2	H4	21.4°	155.2°
C4	C3	C2	H5	97.5°	35.1°
C4	C5	C6	C18	178.8°	179.9°
C4	C5	C6	C7	179.8°	180.0°
C4	C5	C18	C9	179.6°	179.8°
C5	C4	N2	N3	179.7°	180.0°
C5	C4	C3	C29	180.0°	179.9°
C4	C5	C18	H17	0.4°	0.1°
C4	C5	C6	H6	0.2°	0.0°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	0.5°	0.0°
C6	C5	C18	C9	0.7°	0.3°
C6	C5	C4	N2	151.0°	136.7°
C6	C5	C18	H17	179.3°	180.0°
C5	C6	C7	H7	179.5°	180.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.2°	0.3°
C7	C6	C5	C18	0.9°	0.0°
C6	C7	C8	H8	179.8°	179.9°
C7	C8	C9	H8	180.0°	179.7°
C7	C8	C9	C10	179.7°	180.0°
C7	C8	C9	C18	0.5°	0.5°
C8	C7	C6	H6	179.5°	179.9°
C8	C9	C10	C18	179.8°	179.5°
C8	C9	C10	N1	178.0°	90.0°
C8	C9	C18	C5	0.0°	0.6°
C8	C9	C10	H10	61.7°	150.0°
C8	C9	C10	H9	57.8°	30.0°
C8	C9	C18	H17	180.0°	179.8°
C9	C8	C7	H7	179.8°	179.7°
C9	C10	N1	H10	120.2°	120.0°
C9	C10	N1	H9	120.2°	120.0°
C9	C10	N1	C11	126.8°	180.0°
C10	C9	C18	C5	179.8°	179.9°
C9	C10	H10	H9	119.3°	120.0°
C10	C9	C18	H17	0.2°	0.3°
C10	C9	C8	H8	0.3°	0.3°
C9	C10	N1	H11	53.2°	0.0°
C10	N1	C11	H11	180.0°	180.0°
C10	N1	C11	O1	45.4°	0.0°
C10	N1	C11	C12	133.7°	180.0°
N1	C10	C9	C18	2.2°	90.5°
N1	C10	H10	H9	119.3°	120.0°
N1	C11	O1	C12	179.1°	179.9°
N1	C11	C12	C13	16.6°	180.0°
N1	C11	C12	C17	159.5°	0.2°
C11	N1	C10	H10	113.0°	60.0°
C11	N1	C10	H9	6.6°	60.1°
O1	C11	C12	C13	164.2°	0.1°
O1	C11	C12	C17	19.7°	179.8°
O1	C11	N1	H11	134.6°	180.0°
C11	C12	C13	C17	176.1°	179.8°
C11	C12	C13	C14	178.9°	180.0°
C11	C12	C17	C16	178.4°	179.7°
C11	C12	C13	H12	1.1°	0.1°
C11	C12	C17	H16	1.6°	0.1°
C12	C11	N1	H11	46.3°	0.1°
C12	C13	C14	H12	180.0°	180.0°
C12	C13	C14	C15	1.8°	0.0°
C13	C12	C17	C16	2.3°	0.5°
C12	C13	C14	H13	178.2°	180.0°
C13	C12	C17	H16	177.8°	179.7°
C13	C14	C15	H13	180.0°	180.0°
C13	C14	C15	C16	0.3°	0.0°
C14	C13	C12	C17	2.8°	0.2°
C13	C14	C15	H14	179.7°	180.0°
C14	C15	C16	H14	180.0°	179.9°
C14	C15	C16	C17	0.2°	0.4°
C15	C14	C13	H12	178.2°	180.0°
C14	C15	C16	H15	179.8°	180.0°
C15	C16	C17	H15	180.0°	179.6°
C15	C16	C17	C12	0.8°	0.6°
C16	C15	C14	H13	179.7°	179.9°
C15	C16	C17	H16	179.2°	179.6°
C16	C17	C12	H16	180.0°	179.8°
C17	C16	C15	H14	179.8°	179.7°
C9	C18	C5	H17	180.0°	179.7°
C18	C9	C10	H10	118.1°	29.5°
C18	C9	C10	H9	122.4°	149.5°
C18	C9	C8	H8	179.5°	179.8°
C4	N2	N3	C19	179.7°	180.0°
N2	C4	C5	C18	30.2°	43.2°
N2	C4	C3	C29	0.8°	0.0°
C4	N2	N3	C29	0.6°	0.0°
N2	N3	C19	C29	179.6°	180.0°
N2	N3	C19	O2	0.5°	0.0°
N2	N3	C19	C20	179.8°	179.7°
N2	N3	C29	N4	179.5°	180.0°
N2	N3	C29	C3	0.1°	0.0°
N3	C19	O2	C20	179.3°	179.7°
N3	C19	C20	C21	0.2°	0.3°
C19	N3	C29	N4	0.1°	0.1°
C19	N3	C29	C3	179.8°	180.0°
N3	C19	C20	H18	179.7°	179.8°
O2	C19	C20	C21	179.1°	180.0°
O2	C19	N3	C29	179.1°	180.0°
O2	C19	C20	H18	1.0°	0.0°
C19	C20	C21	H18	180.0°	180.0°
C19	C20	C21	C22	179.9°	180.0°
C19	C20	C21	N4	0.0°	0.0°
C20	C19	N3	C29	0.2°	0.3°
C20	C21	C22	N4	179.9°	180.0°
C20	C21	C22	C23	159.7°	180.0°
C20	C21	N4	C29	0.3°	0.3°
C20	C21	C22	C28	20.6°	0.2°
C20	C21	N4	H23	179.7°	180.0°
C21	C22	C23	C28	179.7°	179.8°
C21	C22	C23	C24	179.7°	180.0°
C21	C22	C28	C26	179.9°	179.7°
C22	C21	N4	C29	179.8°	179.7°
C22	C21	C20	H18	0.2°	0.0°
C21	C22	C23	H19	0.2°	0.0°
C21	C22	C28	H22	0.1°	0.1°
C22	C21	N4	H23	0.2°	0.0°
C22	C23	C24	H19	180.0°	180.0°
C22	C23	C24	C25	0.3°	0.0°
C23	C22	C28	C26	0.2°	0.5°
C23	C22	C21	N4	20.2°	0.0°
C22	C23	C24	H20	179.7°	180.0°
C23	C22	C28	H22	179.8°	179.7°
C23	C24	C25	H20	180.0°	180.0°
C23	C24	C25	C26	0.4°	0.0°
C24	C23	C22	C28	0.6°	0.2°
C23	C24	C25	H21	179.7°	179.9°
C24	C25	C26	H21	180.0°	179.9°
C24	C25	C26	C27	179.8°	180.0°
C24	C25	C26	C28	0.7°	0.3°
C25	C24	C23	H19	179.7°	180.0°
C25	C26	C27	C28	179.5°	179.8°
C25	C26	C27	O3	167.6°	180.0°
C25	C26	C27	O4	12.3°	0.0°
C25	C26	C28	C22	0.4°	0.5°
C26	C25	C24	H20	179.6°	180.0°
C25	C26	C28	H22	179.6°	179.7°
C26	C27	O3	O4	179.9°	180.0°
C27	C26	C28	C22	179.9°	179.7°
C27	C26	C25	H21	0.2°	0.0°
C27	C26	C28	H22	0.1°	0.1°
C26	C27	O4	H24	179.9°	180.0°
O3	C27	C26	C28	12.9°	0.3°
O3	C27	O4	H24	0.0°	0.0°
O4	C27	C26	C28	167.2°	179.7°
C26	C28	C22	H22	180.0°	179.8°
C28	C26	C25	H21	179.3°	179.8°
C21	N4	C29	H23	180.0°	179.7°
N4	C21	C22	C28	159.5°	179.7°
C21	N4	C29	C3	179.9°	179.7°
C21	N4	C29	N3	0.3°	0.3°
N4	C21	C20	H18	179.9°	179.9°
N4	C29	C3	N3	179.6°	179.9°
C17	C12	C13	H12	177.2°	179.8°
C12	C17	C16	H15	179.2°	179.8°
C18	C5	C6	H6	179.0°	179.9°
C28	C22	C23	H19	179.5°	179.7°
C29	C3	C2	H4	160.0°	24.8°
C29	C3	C2	H5	81.2°	144.8°
C3	C29	N4	H23	0.1°	0.0°
N3	C29	N4	H23	179.6°	180.0°
H1	C1	H2	H3	120.0°	120.1°
H1	C1	C2	H4	59.4°	60.9°
H1	C1	C2	H5	59.4°	179.1°
H2	C1	C2	H4	60.6°	179.1°
H2	C1	C2	H5	179.5°	59.1°
H3	C1	C2	H4	179.5°	59.1°
H3	C1	C2	H5	60.6°	60.9°
H10	C10	N1	H11	67.0°	120.0°
H9	C10	N1	H11	173.4°	120.0°
H12	C13	C14	H13	1.8°	0.0°
H13	C14	C15	H14	0.3°	0.0°
H14	C15	C16	H15	0.2°	0.1°
H15	C16	C17	H16	0.8°	0.0°
H19	C23	C24	H20	0.3°	0.0°
H20	C24	C25	H21	0.3°	0.0°
H6	C6	C7	H7	0.5°	0.1°
H7	C7	C8	H8	0.2°	0.0°

Release date:	2026-08-05
Definition date:	2026-05-05
Last modified:	2026-07-31
Release status:	REL
Processing site:	RCSB
Derived from:	13EB